2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine

C16H19ClN2 — CID 107503151

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(C)nc(C)c2)c(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-10-4-5-13(15(17)6-10)9-16(18)14-7-11(2)19-12(3)8-14/h4-8,16H,9,18H2,1-3H3
InChIKeyNGHGUJUBCRFTDH-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.90
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine (PubChem CID 107503151) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
PubChem CID107503151
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(C)nc(C)c2)c(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-10-4-5-13(15(17)6-10)9-16(18)14-7-11(2)19-12(3)8-14/h4-8,16H,9,18H2,1-3H3
InChIKeyNGHGUJUBCRFTDH-UHFFFAOYSA-N
XLogP3.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
4-[1-amino-2-(2-chloro-4-methylphenyl)ethyl]-N,N-dimethylaniline
CID 106867526
2-(2-chloro-5-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503345
2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
CID 106867176
2-(2-chloro-4-methylphenyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 106866158
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 106868543
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965
2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine
CID 106868578
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine (CID 107503151) is 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine is Cc1ccc(CC(N)c2cc(C)nc(C)c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine?
The InChIKey is NGHGUJUBCRFTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-10-4-5-13(15(17)6-10)9-16(18)14-7-11(2)19-12(3)8-14/h4-8,16H,9,18H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine has a molecular weight of 274.80 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine is sourced from PubChem (CID 107503151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).